1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine

C14H21BrN2 — CID 64940433

IUPAC1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
SMILESCc1ccc(N2CC(C)(C)NCC2C)cc1Br
InChIInChI=1S/C14H21BrN2/c1-10-5-6-12(7-13(10)15)17-9-14(3,4)16-8-11(17)2/h5-7,11,16H,8-9H2,1-4H3
InChIKeyHWXAQEFOZAGSDM-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.33
Rot. Bonds1

About 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine

1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine (PubChem CID 64940433) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
PubChem CID64940433
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
SMILESCc1ccc(N2CC(C)(C)NCC2C)cc1Br
InChIInChI=1S/C14H21BrN2/c1-10-5-6-12(7-13(10)15)17-9-14(3,4)16-8-11(17)2/h5-7,11,16H,8-9H2,1-4H3
InChIKeyHWXAQEFOZAGSDM-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
1-(4-iodophenyl)-2,5,5-trimethylpiperazine
CID 64935112
1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 82759229
1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine
CID 64930174
1-(3-bromo-4-methylphenyl)-2-methyl-1,4-diazepane
CID 82307433
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935073
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5,5-trimethylpiperazine
CID 64930962
2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine
CID 64940217
4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine
CID 64941183
1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
CID 64940047
1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64930956
2-[1-(3-bromo-4-methylphenyl)-5,5-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84610671

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine (CID 64940433) is 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine is Cc1ccc(N2CC(C)(C)NCC2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine?
The InChIKey is HWXAQEFOZAGSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-5-6-12(7-13(10)15)17-9-14(3,4)16-8-11(17)2/h5-7,11,16H,8-9H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine?
1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64940433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).